oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate

C15H20O5 — CID 86913835

IUPACoxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC2CCCO2)ccc1OC
InChIInChI=1S/C15H20O5/c1-3-18-14-9-11(6-7-13(14)17-2)15(16)20-10-12-5-4-8-19-12/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyMPJSUZOQNSGZBT-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.43
Rot. Bonds6

About oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate

oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate (PubChem CID 86913835) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
PubChem CID86913835
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nameoxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC2CCCO2)ccc1OC
InChIInChI=1S/C15H20O5/c1-3-18-14-9-11(6-7-13(14)17-2)15(16)20-10-12-5-4-8-19-12/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyMPJSUZOQNSGZBT-UHFFFAOYSA-N
XLogP2.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-2-ylmethyl 4-amino-3-methoxybenzoate
CID 104783910
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558583
2-(oxolan-2-yl)ethyl 3-amino-4-ethoxybenzoate
CID 65166568
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
ethyl 3-amino-4-(oxan-2-ylmethoxy)benzoate
CID 61307033
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
3-ethoxy-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65161179
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 7488544

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate?
The IUPAC name of oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate (CID 86913835) is oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate.
What is the SMILES notation for oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate?
The canonical SMILES for oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate is CCOc1cc(C(=O)OCC2CCCO2)ccc1OC.
What is the InChIKey of oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate?
The InChIKey is MPJSUZOQNSGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-3-18-14-9-11(6-7-13(14)17-2)15(16)20-10-12-5-4-8-19-12/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate?
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 86913835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).